ethyl 1-[2-[4-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: ethyl 1-[2-[4-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]carbonylpyrrolidin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: ethyl 1-[2-[4-[4,6-bis(allylamino)-1,3,5-triazin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carbonyl]cyclohexanecarboxylate CAS Name: 1-[[2-[[4-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: 1-[2-[4-[4,6-bis(allylamino)-s-triazin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carbonyl]cyclohexanecarboxylic acid ethyl ester Formula: C28H42N8O4 MolecularWeight: 554.68428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1)C(=O)N2CCCC2C(=O)N3CCN(CC3)C4=NC(=NC(=N4)NCC=C)NCC=C

Isomeric SMILES

CCOC(=O)C1(CCCCC1)C(=O)N2CCCC2C(=O)N3CCN(CC3)C4=NC(=NC(=N4)NCC=C)NCC=C

InChI

InChI=1S/C28H42N8O4/c1-4-14-29-25-31-26(30-15-5-2)33-27(32-25)35-19-17-34(18-20-35)22(37)21-11-10-16-36(21)23(38)28(24(39)40-6-3)12-8-7-9-13-28/h4-5,21H,1-2,6-20H2,3H3,(H2,29,30,31,32,33)